2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole

C12H7Cl2N3 — CID 129318090

IUPAC2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccnc(Cl)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H7Cl2N3/c13-7-5-6-15-11(14)10(7)12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H,16,17)
InChIKeyTZSMSKXXQJWKGH-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.93
Rot. Bonds1

About 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole

2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole (PubChem CID 129318090) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole
PubChem CID129318090
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccnc(Cl)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C12H7Cl2N3/c13-7-5-6-15-11(14)10(7)12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H,16,17)
InChIKeyTZSMSKXXQJWKGH-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-3-pyridinyl)-1H-benzimidazole
CID 67996480
2-(4-chloro-2,3,6-trifluorophenyl)-1H-benzimidazole
CID 168555540
2-[2-(3-chloro-2-pyridinyl)phenyl]-1H-benzimidazole
CID 129162881
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
CID 16721057
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-(furan-2-yl)-1H-benzimidazole;hydrochloride
CID 163330035
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole (CID 129318090) is 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole is Clc1ccnc(Cl)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole?
The InChIKey is TZSMSKXXQJWKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-7-5-6-15-11(14)10(7)12-16-8-3-1-2-4-9(8)17-12/h1-6H,(H,16,17).
What are the key properties of 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole?
2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole has a molecular weight of 264.12 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 129318090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).